Thalifaberine
TL;DR: Thalifaberine (CAS 88313-32-0) is a chemical compound with molecular formula C41H48N2O8 and molecular weight 696.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-8-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Also Known As: Thalifaberine, (+)-Thalifaberine, ( )-Thalifaberine, J2.458.526C, 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,3,9,10-pentamethoxy-6-methyl-8-(4-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aS)-
| Molecular Formula | C41H48N2O8 |
|---|---|
| Molecular Weight | 696.34 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 696.34106 |
| Heavy Atoms | 51 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 88313-32-0 |
|---|---|
| SMILES | CN1CCC2=C3[C@@H]1CC4=C(C(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC |
| InChIKey | RRKYSGHTIGWTJQ-CONSDPRKSA-N |
Product Overview
Thalifaberine (CAS 88313-32-0), with molecular formula C41H48N2O8 and molecular weight 696.34 g/mol. IUPAC: (6aS)-8-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
Chemical Property Profile of Thalifaberine
Property Insights of Thalifaberine
The XLogP value of 6.7 indicates that Thalifaberine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalifaberine. Following Lipinski's Rule of Five, Thalifaberine has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thalifaberine?
The CAS number of Thalifaberine is 88313-32-0.
What is the molecular formula of Thalifaberine?
The molecular formula of Thalifaberine is C41H48N2O8.
What is the molecular weight of Thalifaberine?
The molecular weight of Thalifaberine is 696.34 g/mol.
Where can I buy Thalifaberine?
You can request a quote for Thalifaberine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalifaberine?
Yes, KEHONG BIO provides custom synthesis services for Thalifaberine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.